Symmetry of polycentric systems : the polycentric tensor algebra for molecules

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Bibliografiske detaljer
Hovedforfatter: Fieck, G.
Format: Livre numérique
Sprog:Anglais
Udgivet: Berlin [etc.] : Springer [20..].
Cham : Springer Nature
Serier:Lecture notes in physics 167
Fag:
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Edition sous un autre format:• Symmetry of Polycentric Systems, Texte imprimé, 9783540115892
• Symmetry of Polycentric Systems, Texte imprimé, 9783662199282
Indholdsfortegnelse:
  • Summary of the Wigner-Racah algebra of non-simply-reducible point groups with non-ambivalent classes
  • Representations induced by polyhedral edges
  • Bicentric matrices
  • The matrix elements of s.-a. molecular orbitals
  • Polyhedral coefficients referring to edges
  • Triangular coefficients
  • Triangular invariants
  • Symmetry-adapted geminals and densities
  • Pseudo-tetrahedral coefficients
  • Two-particle interaction
  • Complete bases of irreducible representations
  • Transformation properties and structure of the multi-centre integrals
  • Multi-centre integrals and molecular symmetry
  • Ab initio determination of the polycentric invariants
  • Wolfsberg-Helmholtz and Mulliken approximations
  • Floating orbitals
  • Overlap- and structural matrices, orthonormalization
  • Many-electron systems
  • Sketch of the VB picture
  • Prospect of crystals
  • Case study: Tetrahedral structures
  • Case study: Matrix elements.